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1511-16-6 | 1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1511-16-6 Catalog No: AG001N3L MDL No:MFCD00673961
Product Description
Catalog Number:
AG001N3L
Chemical Name:
1-Butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1511-16-6
Molecular Formula:
C21H24Cl2FNO2
Molecular Weight:
412.3252
MDL Number:
MFCD00673961
IUPAC Name:
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
InChI:
InChI=1S/C21H23ClFNO2.ClH/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;/h3-10,26H,1-2,11-15H2;1H
InChI Key:
JMRYYMBDXNZQMH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl.Cl
EC Number:
689-044-5
UNII:
UM06W2ADRY
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.117g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.326g/mol
Monoisotopic Mass:
411.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Haloperidol: towards further understanding of the structural contributions of its pharmacophoric elements at D2-like receptors. | Bioorganic & medicinal chemistry letters 20041206 |
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